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Coarse-Grained Simulations Using a Multipolar Force Field Model
This paper presents a coarse-grained molecular simulation for fullerenes based on a multipolar expansion method developed previously. The method is enabled by the construction of transferable united atoms potentials that approximate the full atomistic intermolecular interactions, as obtained from ab...
Gardado en:
| Publicado en: | Materials (Basel) |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
MDPI
2018
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| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6120006/ https://ncbi.nlm.nih.gov/pubmed/30065228 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ma11081328 |
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